6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine

C20H22ClN7 — CID 155560487

IUPAC6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCN1CCC(CNc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1
InChIInChI=1S/C20H22ClN7/c1-27-6-4-13(5-7-27)10-22-17-9-19(21)26-28-18(12-23-20(17)28)14-2-3-16-15(8-14)11-24-25-16/h2-3,8-9,11-13,22H,4-7,10H2,1H3,(H,24,25)
InChIKeyRRIZBMJJMFKISE-UHFFFAOYSA-N
MW395.90 g/mol
LogP3.68
Rot. Bonds4

About 6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine

6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 155560487) has the molecular formula C20H22ClN7 and a molecular weight of 395.90 g/mol. Its IUPAC name is 6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID155560487
Molecular FormulaC20H22ClN7
Molecular Weight395.90 g/mol
Exact Mass395.16
IUPAC Name6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCN1CCC(CNc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1
InChIInChI=1S/C20H22ClN7/c1-27-6-4-13(5-7-27)10-22-17-9-19(21)26-28-18(12-23-20(17)28)14-2-3-16-15(8-14)11-24-25-16/h2-3,8-9,11-13,22H,4-7,10H2,1H3,(H,24,25)
InChIKeyRRIZBMJJMFKISE-UHFFFAOYSA-N
XLogP3.68
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.90
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine (CID 155560487) is 6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine is CN1CCC(CNc2cc(Cl)nn3c(-c4ccc5[nH]ncc5c4)cnc23)CC1.
What is the InChIKey of 6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is RRIZBMJJMFKISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN7/c1-27-6-4-13(5-7-27)10-22-17-9-19(21)26-28-18(12-23-20(17)28)14-2-3-16-15(8-14)11-24-25-16/h2-3,8-9,11-13,22H,4-7,10H2,1H3,(H,24,25).
What are the key properties of 6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine?
6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 395.90 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 155560487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).